N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide

C24H20ClN3O3 — CID 46857114

IUPACN-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)c1
InChIInChI=1S/C24H20ClN3O3/c1-15-10-16(2)12-19(11-15)28-23(30)20-8-3-4-9-21(20)27(24(28)31)14-22(29)26-18-7-5-6-17(25)13-18/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyOLGATTAWCJYNEO-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.06
Rot. Bonds4

About N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 46857114) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID46857114
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)c1
InChIInChI=1S/C24H20ClN3O3/c1-15-10-16(2)12-19(11-15)28-23(30)20-8-3-4-9-21(20)27(24(28)31)14-22(29)26-18-7-5-6-17(25)13-18/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyOLGATTAWCJYNEO-UHFFFAOYSA-N
XLogP4.06
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
N-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857110
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46857126
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762674
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 46857114) is N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide is Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is OLGATTAWCJYNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-10-16(2)12-19(11-15)28-23(30)20-8-3-4-9-21(20)27(24(28)31)14-22(29)26-18-7-5-6-17(25)13-18/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 46857114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).